N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-furamide Formula: C20H15N3O2S2 MolecularWeight: 393.482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H15N3O2S2/c1-12-11-13(19-21-15-5-2-3-7-17(15)27-19)8-9-14(12)22-20(26)23-18(24)16-6-4-10-25-16/h2-11H,1H3,(H2,22,23,24,26)